General Information of the Compound
| Compound ID |
CP0434997
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| Compound Name |
N-(1-adamantyl)-2-[5-(furan-2-yl)-1-prop-2-enylindol-3-yl]-2-oxoacetamide
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| Structure |
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| Formula |
C27H28N2O3
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| Molecular Weight |
428.532
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| Canonical SMILES |
C=CCn1cc(C(=O)C(=O)NC23CC4CC(CC(C4)C2)C3)c2cc(ccc12)-c1ccco1
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| InChI |
InChI=1S/C27H28N2O3/c1-2-7-29-16-22(21-12-20(5-6-23(21)29)24-4-3-8-32-24)25(30)26(31)28-27-13-17-9-18(14-27)11-19(10-17)15-27/h2-6,8,12,16-19H,1,7,9-11,13-15H2,(H,28,31)
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| InChIKey |
KQWJSPDWCKTIAH-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound
Protein ID: PT01298, Cannabinoid receptor 1
Protein ID: PT00834, Cannabinoid receptor 2